SCHEMBL6498459

SCHEMBL6498459

CC(=O)CC(C)(C)Sc1nc2cc(N3CCN(Cc4ccccc4)CC3)c(Cl)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.60
OPRM1 P35372 10/20 0.60
OPRK1 P41145 10/20 0.60
NPY2R P49146 1/20 0.46
KCNH2 Q12809 3/20 0.46
OPRD1 P41143 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6498453 0.96 OPRL1 (0.55) OPRL1OPRM1OPRK1NPY2RKCNH2
SCHEMBL6495842 0.88 OPRL1 (0.62) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6495837 0.84 OPRL1 (0.57) OPRL1OPRM1OPRK1NPY2RKCNH2
SCHEMBL6483352 0.75 OPRL1 (0.59) OPRL1OPRM1OPRK1KCNH2
SCHEMBL6483640 0.75 OPRL1 (1.00) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6484743 0.74 OPRL1 (0.58) OPRL1OPRM1OPRK1KCNH2
Hydrochloric Acid SCHEMBL6484256 0.74 OPRL1 (0.98) OPRL1OPRM1OPRK1KCNH2OPRD1
SCHEMBL6484796 0.73 OPRL1 (1.00) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6481528 0.73 OPRL1 (0.81) OPRL1OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL6484402 0.73 OPRL1 (0.98) OPRL1OPRM1OPRK1KCNH2OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR OPRL1 2/4885OPRM1 11/4885OPRK1 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.